[(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate

C23H25NO4 — CID 44550949

IUPAC[(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate
SMILESC[C@@H](OC(=O)CCc1ccccc1)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O
InChIInChI=1S/C23H25NO4/c1-17(28-22(26)15-13-19-10-6-3-7-11-19)20-16-24(23(20)27)21(25)14-12-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3/t17-,20+/m1/s1
InChIKeyCTJHECFOTWAHFR-XLIONFOSSA-N
MW379.46 g/mol
LogP3.17
Rot. Bonds8

About [(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate

[(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate (PubChem CID 44550949) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is [(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate
PubChem CID44550949
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name[(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate
SMILESC[C@@H](OC(=O)CCc1ccccc1)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O
InChIInChI=1S/C23H25NO4/c1-17(28-22(26)15-13-19-10-6-3-7-11-19)20-16-24(23(20)27)21(25)14-12-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3/t17-,20+/m1/s1
InChIKeyCTJHECFOTWAHFR-XLIONFOSSA-N
XLogP3.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate?
The IUPAC name of [(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate (CID 44550949) is [(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate.
What is the SMILES notation for [(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate?
The canonical SMILES for [(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate is C[C@@H](OC(=O)CCc1ccccc1)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O.
What is the InChIKey of [(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate?
The InChIKey is CTJHECFOTWAHFR-XLIONFOSSA-N. The full InChI is InChI=1S/C23H25NO4/c1-17(28-22(26)15-13-19-10-6-3-7-11-19)20-16-24(23(20)27)21(25)14-12-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3/t17-,20+/m1/s1.
What are the key properties of [(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate?
[(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate has a molecular weight of 379.46 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate is sourced from PubChem (CID 44550949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).